1-Acetylindoline

The Ethanone,1-(2,3-dihydro-1H-indol-1-yl)-, with CAS registry number 16078-30-1, belongs to the following product categories: (1)Acetylgroup; (2)Indoles and derivatives; (3)Indoline & Oxindole; (4)Building Blocks; (5)Heterocyclic Building Blocks; (6)Indole. It has the systematic name of 1-(2,3-dihydro-1H-indol-1-yl)ethanone. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Ethanone,1-(2,3-dihydro-1H-indol-1-yl)-: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.93; (6)ACD/BCF (pH 7.4): 12.93; (7)ACD/KOC (pH 5.5): 217.44; (8)ACD/KOC (pH 7.4): 217.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 46.58 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 18.46×10^-24cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Enthalpy of Vaporization: 60.02 kJ/mol; (19)Vapour Pressure: 3.2E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and 2,3-dihydro-indole. This reaction will need reagent CHCl₃. The reaction time is 1 hour(s) with reaction temperature of 20 ℃.

Uses of Ethanone,1-(2,3-dihydro-1H-indol-1-yl)-: it can be used to produce 1-acetyl-5-nitro-2,3-dihydro-indole. This reaction will need reagent HNO₃, Ac₂O. The reaction time is 1 hour(s) with reaction temperature of 20 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2c1ccccc1CC2)C
(2)InChI: InChI=1/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
(3)InChIKey: RNTCWULFNYNFGI-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
(5)Std. InChIKey: RNTCWULFNYNFGI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	204mg/kg (204mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Medicinal Chemistry. Vol. 20, Pg. 1448, 1977.